N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide

C22H21ClN4O — CID 109244496

IUPACN-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cncc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C22H21ClN4O/c23-17-4-3-5-19(13-17)26-22(28)16-12-20(15-24-14-16)25-18-6-8-21(9-7-18)27-10-1-2-11-27/h3-9,12-15,25H,1-2,10-11H2,(H,26,28)
InChIKeyYOHIKSFCZPAIHI-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.33
Rot. Bonds5

About N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide

N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 109244496) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID109244496
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cncc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C22H21ClN4O/c23-17-4-3-5-19(13-17)26-22(28)16-12-20(15-24-14-16)25-18-6-8-21(9-7-18)27-10-1-2-11-27/h3-9,12-15,25H,1-2,10-11H2,(H,26,28)
InChIKeyYOHIKSFCZPAIHI-UHFFFAOYSA-N
XLogP5.33
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268738
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246036
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide (CID 109244496) is N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cncc(Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is YOHIKSFCZPAIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-4-3-5-19(13-17)26-22(28)16-12-20(15-24-14-16)25-18-6-8-21(9-7-18)27-10-1-2-11-27/h3-9,12-15,25H,1-2,10-11H2,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).